2-ethylpyrazole-3-carbaldehyde

C6H8N2O — CID 7009534

IUPAC2-ethylpyrazole-3-carbaldehyde
SMILESCCn1nccc1C=O
InChIInChI=1S/C6H8N2O/c1-2-8-6(5-9)3-4-7-8/h3-5H,2H2,1H3
InChIKeySKUJVOCRQZNYEX-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.72
Rot. Bonds2

About 2-ethylpyrazole-3-carbaldehyde

2-ethylpyrazole-3-carbaldehyde (PubChem CID 7009534) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-ethylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-ethylpyrazole-3-carbaldehyde
PubChem CID7009534
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-ethylpyrazole-3-carbaldehyde
SMILESCCn1nccc1C=O
InChIInChI=1S/C6H8N2O/c1-2-8-6(5-9)3-4-7-8/h3-5H,2H2,1H3
InChIKeySKUJVOCRQZNYEX-UHFFFAOYSA-N
XLogP0.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethyl)pyrazole-3-carbaldehyde
CID 119030698
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103090911
2-(3-bromoprop-2-enyl)pyrazole-3-carbaldehyde
CID 139674872
(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 114557615
(E)-1,3-bis(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19553223
2-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
CID 10330920
(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
CID 114558316
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 114558250
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
CID 103091900
methanol;2-methylpyrazole-3-carbaldehyde
CID 143813492
3-(2-ethylpyrazol-3-yl)-4-methylbenzaldehyde
CID 105408142

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrazole-3-carbaldehyde?
The IUPAC name of 2-ethylpyrazole-3-carbaldehyde (CID 7009534) is 2-ethylpyrazole-3-carbaldehyde.
What is the SMILES notation for 2-ethylpyrazole-3-carbaldehyde?
The canonical SMILES for 2-ethylpyrazole-3-carbaldehyde is CCn1nccc1C=O.
What is the InChIKey of 2-ethylpyrazole-3-carbaldehyde?
The InChIKey is SKUJVOCRQZNYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-8-6(5-9)3-4-7-8/h3-5H,2H2,1H3.
What are the key properties of 2-ethylpyrazole-3-carbaldehyde?
2-ethylpyrazole-3-carbaldehyde has a molecular weight of 124.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrazole-3-carbaldehyde is sourced from PubChem (CID 7009534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).